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BDBM50120245 3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1-yl)-N-(2-oxo-2-phenyl-ethyl)-propionamide::CHEMBL105925

SMILES: O=C(CCn1c2CCCCc2c(=O)[nH]c1=O)NCC(=O)c1ccccc1

InChI Key: InChIKey=XSXYGRGXAJVWSP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120245   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50120245
PNG
(3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1...)
Show SMILES O=C(CCn1c2CCCCc2c(=O)[nH]c1=O)NCC(=O)c1ccccc1
Show InChI InChI=1S/C19H21N3O4/c23-16(13-6-2-1-3-7-13)12-20-17(24)10-11-22-15-9-5-4-8-14(15)18(25)21-19(22)26/h1-3,6-7H,4-5,8-12H2,(H,20,24)(H,21,25,26)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant PARP-1


Bioorg Med Chem Lett 12: 3187-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00602-9
BindingDB Entry DOI: 10.7270/Q2VX0FTT
More data for this
Ligand-Target Pair